CID 216785

37719-83-8

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CC1CC(N=C(O1)NC2=CC=CC=C2)(C)C

InChI

InChI=1S/C13H18N2O/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,15)

InChIKey

TVTFIOPMAAZGFA-UHFFFAOYSA-N

Compound name

4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.1419 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.14918	150.1
[M+Na]+	241.13112	157.4
[M-H]-	217.13462	156.2
[M+NH4]+	236.17572	167.9
[M+K]+	257.10506	155.8
[M+H-H2O]+	201.13916	142.5
[M+HCOO]-	263.14010	171.1
[M+CH3COO]-	277.15575	190.3
[M+Na-2H]-	239.11657	157.6
[M]+	218.14135	148.9
[M]-	218.14245	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe